2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H16F3N3O2S — CID 84598731

IUPAC2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)N(CC(F)(F)F)C(C)C)c(=O)n2c1C
InChIInChI=1S/C14H16F3N3O2S/c1-7(2)19(6-14(15,16)17)11(21)10-5-18-13-20(12(10)22)8(3)9(4)23-13/h5,7H,6H2,1-4H3
InChIKeyVAWUQIJGJOSXBL-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.79
Rot. Bonds3

About 2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 84598731) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is 2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID84598731
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)N(CC(F)(F)F)C(C)C)c(=O)n2c1C
InChIInChI=1S/C14H16F3N3O2S/c1-7(2)19(6-14(15,16)17)11(21)10-5-18-13-20(12(10)22)8(3)9(4)23-13/h5,7H,6H2,1-4H3
InChIKeyVAWUQIJGJOSXBL-UHFFFAOYSA-N
XLogP2.79
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 84598731) is 2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)N(CC(F)(F)F)C(C)C)c(=O)n2c1C.
What is the InChIKey of 2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VAWUQIJGJOSXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-7(2)19(6-14(15,16)17)11(21)10-5-18-13-20(12(10)22)8(3)9(4)23-13/h5,7H,6H2,1-4H3.
What are the key properties of 2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 347.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 84598731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).